1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione

C21H28N2O6S — CID 149326845

IUPAC1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCOCCS(=O)(=O)CC2(c3cccc(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C21H28N2O6S/c24-19-13-23(20(25)22-19)8-9-28-10-11-30(26,27)15-21(6-7-21)17-2-1-3-18(12-17)29-14-16-4-5-16/h1-3,12,16H,4-11,13-15H2,(H,22,24,25)
InChIKeyYBNRYPAAFWTSRG-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.49
Rot. Bonds12

About 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione

1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione (PubChem CID 149326845) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione
PubChem CID149326845
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC Name1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione
SMILESO=C1CN(CCOCCS(=O)(=O)CC2(c3cccc(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C21H28N2O6S/c24-19-13-23(20(25)22-19)8-9-28-10-11-30(26,27)15-21(6-7-21)17-2-1-3-18(12-17)29-14-16-4-5-16/h1-3,12,16H,4-11,13-15H2,(H,22,24,25)
InChIKeyYBNRYPAAFWTSRG-UHFFFAOYSA-N
XLogP1.49
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione (CID 149326845) is 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione is O=C1CN(CCOCCS(=O)(=O)CC2(c3cccc(OCC4CC4)c3)CC2)C(=O)N1.
What is the InChIKey of 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione?
The InChIKey is YBNRYPAAFWTSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c24-19-13-23(20(25)22-19)8-9-28-10-11-30(26,27)15-21(6-7-21)17-2-1-3-18(12-17)29-14-16-4-5-16/h1-3,12,16H,4-11,13-15H2,(H,22,24,25).
What are the key properties of 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione?
1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione has a molecular weight of 436.53 g/mol, XLogP of 1.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[[1-[3-(cyclopropylmethoxy)phenyl]cyclopropyl]methylsulfonyl]ethoxy]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 149326845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).